N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine

C53H43NS — CID 168802173

IUPACN-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C53H43NS/c1-52(2,3)37-26-28-38(29-27-37)54(39-30-31-47-45(33-39)42-15-8-10-19-46(42)53(47,4)5)48-32-25-34-13-6-7-14-40(34)50(48)36-23-21-35(22-24-36)41-17-12-18-44-43-16-9-11-20-49(43)55-51(41)44/h6-33H,1-5H3
InChIKeyXFRHLSSSIWDKQP-UHFFFAOYSA-N
MW726.00 g/mol
LogP15.62
Rot. Bonds5

About N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine

N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (PubChem CID 168802173) has the molecular formula C53H43NS and a molecular weight of 726.00 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
PubChem CID168802173
Molecular FormulaC53H43NS
Molecular Weight726.00 g/mol
Exact Mass725.31
IUPAC NameN-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C53H43NS/c1-52(2,3)37-26-28-38(29-27-37)54(39-30-31-47-45(33-39)42-15-8-10-19-46(42)53(47,4)5)48-32-25-34-13-6-7-14-40(34)50(48)36-23-21-35(22-24-36)41-17-12-18-44-43-16-9-11-20-49(43)55-51(41)44/h6-33H,1-5H3
InChIKeyXFRHLSSSIWDKQP-UHFFFAOYSA-N
XLogP15.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.00
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168801821
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802490
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168801945
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-9,9-diphenylfluoren-2-amine
CID 168801848
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405381
N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 155095555
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (CID 168802173) is N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The InChIKey is XFRHLSSSIWDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43NS/c1-52(2,3)37-26-28-38(29-27-37)54(39-30-31-47-45(33-39)42-15-8-10-19-46(42)53(47,4)5)48-32-25-34-13-6-7-14-40(34)50(48)36-23-21-35(22-24-36)41-17-12-18-44-43-16-9-11-20-49(43)55-51(41)44/h6-33H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine has a molecular weight of 726.00 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).